1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene

C16H22O — CID 142206668

IUPAC1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene
SMILESC/C=C(\C=C(C)C)Oc1ccc(CC)c(C)c1
InChIInChI=1S/C16H22O/c1-6-14-8-9-16(11-13(14)5)17-15(7-2)10-12(3)4/h7-11H,6H2,1-5H3/b15-7+
InChIKeyBENPYLBMJKXUMH-VIZOYTHASA-N
MW230.35 g/mol
LogP4.81
Rot. Bonds4

About 1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene

1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene (PubChem CID 142206668) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene.

Molecular Properties

Compound Name1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene
PubChem CID142206668
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene
SMILESC/C=C(\C=C(C)C)Oc1ccc(CC)c(C)c1
InChIInChI=1S/C16H22O/c1-6-14-8-9-16(11-13(14)5)17-15(7-2)10-12(3)4/h7-11H,6H2,1-5H3/b15-7+
InChIKeyBENPYLBMJKXUMH-VIZOYTHASA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

bis(4-ethyl-3-methylphenyl) carbonate
CID 89437335
(4-ethyl-3-methylphenyl) carbamate
CID 3027931
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide
CID 23369793
[3-methyl-4-(2-methylpropyl)phenyl] propanoate
CID 151861053
2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine
CID 163472505
2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82264574
(E)-2-(1,3-benzodioxol-5-yloxy)but-2-enal
CID 163697144
(3-acetyloxy-4-propylphenyl) acetate
CID 14592780
(3-amino-4-methylphenyl) acetate
CID 66838768

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene?
The IUPAC name of 1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene (CID 142206668) is 1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene.
What is the SMILES notation for 1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene?
The canonical SMILES for 1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene is C/C=C(\C=C(C)C)Oc1ccc(CC)c(C)c1.
What is the InChIKey of 1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene?
The InChIKey is BENPYLBMJKXUMH-VIZOYTHASA-N. The full InChI is InChI=1S/C16H22O/c1-6-14-8-9-16(11-13(14)5)17-15(7-2)10-12(3)4/h7-11H,6H2,1-5H3/b15-7+.
What are the key properties of 1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene?
1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene has a molecular weight of 230.35 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4-[(2E)-5-methylhexa-2,4-dien-3-yl]oxybenzene is sourced from PubChem (CID 142206668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).